Chem
J-GLOBAL ID：200907068694500203
Nikkaji number：J2.490B
Isophthalic acid
イソフタル酸
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C8H6O4
Molecular formula furigana： C8-H6-O4
Molecular weight： 166.132
InChI：
InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChI key：
QQVIHTHCMHWDBS-UHFFFAOYSA-N
SMILES：
OC(=O)c1cccc(c1)C(=O)O
Systematic name (4)：
- ベンゼン-1,3-ジカルボン酸
- イソフタル酸
- 1,3-ベンゼンジカルボン酸
- benzene-1,3-dicarboxylic acid
- m-フタル酸
- m-Phthalic acid
- Isophthalic acid
- 1,3-Benzenedicarboxylic acid
- IPA
Show all
Regulation number (5)：
- (3)-1332
- NT2007000
- EINECS2045064
- NT2000000
- TSCA(121-91-5)
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